레브크로마칼림

Levcromakalim

HCID 93504CAS 94470-67-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O
InChIKey: TVZCRIROJQEVOT-CABCVRRESA-N
분자식: C16H18N2O3
평균 분자량: 286.33 g/mol
단동위원소 질량: 286.13174244

이름 및 식별자

우선 이름: Levcromakalim
IUPAC: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile
현지명: 레브크로마칼림
영어명: LEVCROMAKALIM
분자식: C16H18N2O3
분자량: 286.33

이름 및 동의어

Levcromakalim94535-50-9(-)-CromakalimBRL-38227DTXSID5045677RW7PN4BLDJ2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-, (3S,trans)-(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromane-6-carbonitrileDTXCID3025677levcromakalimumBRL38227RefChem:924700

이름 더 보기

레브크로마칼림Brn 3622889levcromakelimLevkroMakaliM(3s-trans)-yrrolidinyl)Levcromakalim, 10 mM in DMSOLevcromakalim, KATP channel activatorPotassium Channel,KcsA,Inhibitor,inhibit,BRL38227,BRL-38227,Levcromakalim

LemakalimBRL 38227BRL 34915CHEMBL100MLS000069770(3S,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-6-chromancarbonitrile(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile(+/-)-cromakalim

데이터베이스 식별자

CAS: 94470-67-4、94535-50-9
PubChem CID: 93504
DTXSID: DTXSID5045677
ChEMBL: CHEMBL100、CHEMBL11684
ChEBI: CHEBI:6436
UNII: 0G4X367WA3、RW7PN4BLDJ
Nikkaji: J257.580I

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 73.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 21
형식 전하: 0
복잡도: 481

물리화학적 성질

녹는점: 242 · 242-244°
끓는 점: 482.3 · 482.3±45.0 °C(Predicted)
밀도: 1.31 · 1.31±0.1 g/cm3(Predicted)
저장 조건: Store at RT
용해도: 10 mM, · DMSO: 10mM, 가용성
물리적 상태: 고체
산도 계수 (pKa): 13.18 · 13.18±0.60(Predicted)
색상: White to off-white

안전 및 규제

안전 데이터

wgk: 3
rtecs: DJ2177500
safety_code: 22-24/25

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 4건

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.

Agents that cause an increase in the expansion of a bronchus or bronchial tubes.

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.

Drugs used to cause dilation of the blood vessels.